1-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]benzimidazole

C16H9F3N4O — CID 3241637

IUPAC1-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]benzimidazole
SMILESFC(F)(F)c1cc(-c2ccco2)nc(-n2cnc3ccccc32)n1
InChIInChI=1S/C16H9F3N4O/c17-16(18,19)14-8-11(13-6-3-7-24-13)21-15(22-14)23-9-20-10-4-1-2-5-12(10)23/h1-9H
InChIKeyLFVMHNASFKDHSM-UHFFFAOYSA-N
MW330.27 g/mol
LogP4.09
Rot. Bonds2

About 1-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]benzimidazole

1-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]benzimidazole (PubChem CID 3241637) has the molecular formula C16H9F3N4O and a molecular weight of 330.27 g/mol. Its IUPAC name is 1-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]benzimidazole.

Molecular Properties

Compound Name1-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]benzimidazole
PubChem CID3241637
Molecular FormulaC16H9F3N4O
Molecular Weight330.27 g/mol
Exact Mass330.07
IUPAC Name1-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]benzimidazole
SMILESFC(F)(F)c1cc(-c2ccco2)nc(-n2cnc3ccccc32)n1
InChIInChI=1S/C16H9F3N4O/c17-16(18,19)14-8-11(13-6-3-7-24-13)21-15(22-14)23-9-20-10-4-1-2-5-12(10)23/h1-9H
InChIKeyLFVMHNASFKDHSM-UHFFFAOYSA-N
XLogP4.09
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]benzimidazole?
The IUPAC name of 1-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]benzimidazole (CID 3241637) is 1-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]benzimidazole.
What is the SMILES notation for 1-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]benzimidazole?
The canonical SMILES for 1-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]benzimidazole is FC(F)(F)c1cc(-c2ccco2)nc(-n2cnc3ccccc32)n1.
What is the InChIKey of 1-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]benzimidazole?
The InChIKey is LFVMHNASFKDHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3N4O/c17-16(18,19)14-8-11(13-6-3-7-24-13)21-15(22-14)23-9-20-10-4-1-2-5-12(10)23/h1-9H.
What are the key properties of 1-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]benzimidazole?
1-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]benzimidazole has a molecular weight of 330.27 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]benzimidazole is sourced from PubChem (CID 3241637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).